rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 6466-0163 |
| Compound Name: | rel-(5R,7S)-N-(2H-1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 460.41 |
| Molecular Formula: | C22 H19 F3 N4 O4 |
| Smiles: | COc1cccc(c1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccc3c(c2)OCO3)=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1329 |
| logD: | 4.1327 |
| logSw: | -4.2806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.265 |
| InChI Key: | YCRZHDAZSJQICQ-VQIMIIECSA-N |